[(1S)-2-(5-oxo-2H-furan-4-yl)cyclopent-2-en-1-yl] acetate

C11H12O4 — CID 44551192

IUPAC[(1S)-2-(5-oxo-2H-furan-4-yl)cyclopent-2-en-1-yl] acetate
SMILESCC(=O)O[C@H]1CCC=C1C1=CCOC1=O
InChIInChI=1S/C11H12O4/c1-7(12)15-10-4-2-3-8(10)9-5-6-14-11(9)13/h3,5,10H,2,4,6H2,1H3/t10-/m0/s1
InChIKeyLHLYMPNUJKGDJW-JTQLQIEISA-N
MW208.21 g/mol
LogP1.12
Rot. Bonds2

About [(1S)-2-(5-oxo-2H-furan-4-yl)cyclopent-2-en-1-yl] acetate

[(1S)-2-(5-oxo-2H-furan-4-yl)cyclopent-2-en-1-yl] acetate (PubChem CID 44551192) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is [(1S)-2-(5-oxo-2H-furan-4-yl)cyclopent-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(1S)-2-(5-oxo-2H-furan-4-yl)cyclopent-2-en-1-yl] acetate
PubChem CID44551192
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name[(1S)-2-(5-oxo-2H-furan-4-yl)cyclopent-2-en-1-yl] acetate
SMILESCC(=O)O[C@H]1CCC=C1C1=CCOC1=O
InChIInChI=1S/C11H12O4/c1-7(12)15-10-4-2-3-8(10)9-5-6-14-11(9)13/h3,5,10H,2,4,6H2,1H3/t10-/m0/s1
InChIKeyLHLYMPNUJKGDJW-JTQLQIEISA-N
XLogP1.12
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(5-oxo-2H-furan-4-yl)cyclopent-2-en-1-yl] acetate?
The IUPAC name of [(1S)-2-(5-oxo-2H-furan-4-yl)cyclopent-2-en-1-yl] acetate (CID 44551192) is [(1S)-2-(5-oxo-2H-furan-4-yl)cyclopent-2-en-1-yl] acetate.
What is the SMILES notation for [(1S)-2-(5-oxo-2H-furan-4-yl)cyclopent-2-en-1-yl] acetate?
The canonical SMILES for [(1S)-2-(5-oxo-2H-furan-4-yl)cyclopent-2-en-1-yl] acetate is CC(=O)O[C@H]1CCC=C1C1=CCOC1=O.
What is the InChIKey of [(1S)-2-(5-oxo-2H-furan-4-yl)cyclopent-2-en-1-yl] acetate?
The InChIKey is LHLYMPNUJKGDJW-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12O4/c1-7(12)15-10-4-2-3-8(10)9-5-6-14-11(9)13/h3,5,10H,2,4,6H2,1H3/t10-/m0/s1.
What are the key properties of [(1S)-2-(5-oxo-2H-furan-4-yl)cyclopent-2-en-1-yl] acetate?
[(1S)-2-(5-oxo-2H-furan-4-yl)cyclopent-2-en-1-yl] acetate has a molecular weight of 208.21 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(5-oxo-2H-furan-4-yl)cyclopent-2-en-1-yl] acetate is sourced from PubChem (CID 44551192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).